相关论文: Retrieval-Retro: Retrieval-based Inorganic Retrosy…

Non-exemplar class incremental learning aims to learn both the new and old tasks without accessing any training data from the past. This strict restriction enlarges the difficulty of alleviating catastrophic forgetting since all techniques…

Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods…

Generative Information Retrieval (GenIR) is a novel paradigm in which a transformer encoder-decoder model predicts document rankings based on a query in an end-to-end fashion. These GenIR models have received significant attention due to…

Inverse materials design has proven successful in accelerating novel material discovery. Many inverse materials design methods use unsupervised learning where a latent space is learned to offer a compact description of materials…

Bayesian models provide recursive inference naturally because they can formally reconcile new data and existing scientific information. However, popular use of Bayesian methods often avoids priors that are based on exact posterior…

Generative deep learning is powering a wave of new innovations in materials design. In this article, we discuss the basic operating principles of these methods and their advantages over rational design through the lens of a case study on…

This article presents resource-guided synthesis, a technique for synthesizing recursive programs that satisfy both a functional specification and a symbolic resource bound. The technique is type-directed and rests upon a novel type system…

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing…

Current endeavours in exoplanet characterisation rely on atmospheric retrieval to quantify crucial physical properties of remote exoplanets from observations. However, the scalability and efficiency of the technique are under strain with…

Critical aspects of computational imaging systems, such as experimental design and image priors, can be optimized through deep networks formed by the unrolled iterations of classical model-based reconstructions (termed physics-based…

Humans have the ability to learn novel compositional concepts by recalling and generalizing primitive concepts acquired from past experiences. Inspired by this observation, in this paper, we propose MetaReVision, a retrieval-enhanced…

Software reuse allows the software industry to simultaneously reduce development cost and improve product quality. Reuse of early-stage artifacts has been acknowledged to be more beneficial than reuse of later-stage artifacts. In this…

Time series data appears in a variety of applications such as smart transportation and environmental monitoring. One of the fundamental problems for time series analysis is time series forecasting. Despite the success of recent deep time…

Predicting the chemical properties of compounds is crucial in discovering novel materials and drugs with specific desired characteristics. Recent significant advances in machine learning technologies have enabled automatic predictive…

The idea of reusing or transferring information from previously learned tasks (source tasks) for the learning of new tasks (target tasks) has the potential to significantly improve the sample efficiency of a reinforcement learning agent. In…

Software developers frequently reuse source code from repositories as it saves development time and effort. Code clones accumulated in these repositories hence represent often repeated functionalities and are candidates for reuse in an…

Retrosynthesis is the process of determining the set of reactant molecules that can react to form a desired product. Semi-template-based retrosynthesis methods, which imitate the reverse logic of synthesis reactions, first predict the…

Information retrieval systems are crucial for enabling effective access to large document collections. Recent approaches have leveraged Large Language Models (LLMs) to enhance retrieval performance through query augmentation, but often rely…

In software reverse engineering, decompilation is the process of recovering source code from binary files. Decompilers are used when it is necessary to understand or analyze software for which the source code is not available. Although…

Recently, template-based (TB) and template-free (TF) molecule graph learning methods have shown promising results to retrosynthesis. TB methods are more accurate using pre-encoded reaction templates, and TF methods are more scalable by…